SCHEMBL6956776

SCHEMBL6956776

CN(C)c1ccc(-c2[nH]nc(N3CCN(c4ccccc4)CC3)c2NC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.42
AURKA O14965 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GFER P55789 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR3 P51677 4/20 0.37
NOX1 Q9Y5S8 1/20 0.36
LMNA P02545 1/20 0.34
PDE3B Q13370 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6959295 0.89 MEN1 (0.42) MAP4K1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL6952935 0.89 MAP4K1 (0.41) MAP4K1ALDH1A1HPGDPDE3BPDE3A
SCHEMBL6966641 0.88 TP53 (0.41) MAP4K1ALDH1A1KDM4EMAPTTP53
SCHEMBL6967175 0.86 KDM4E (0.38) ALDH1A1KDM4EGFERMAPTTSHR
SCHEMBL6956631 0.85 MAPT (0.44) MAP4K1ALDH1A1KDM4EMAPTTP53
SCHEMBL6959768 0.83 HTR7 (0.38) MAP4K1ALDH1A1KDM4EGFERMAPT
SCHEMBL6968659 0.82 MAP4K1 (0.46) MAP4K1ALDH1A1KDM4EMAPTTSHR
SCHEMBL6955333 0.81 POLB (0.42) ALDH1A1KDM4EMAPTTP53SMN1; SMN2
SCHEMBL6961941 0.81 MAPT (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6961528 0.81 HTR7 (0.48) MAP4K1ALDH1A1KDM4EGFERMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed